SCHEMBL16474374

SCHEMBL16474374

CC(C)c1ccn(Cc2ccccc2)c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
CYP2D6 P10635 2/20 0.41
KCNA3 P22001 3/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 1/20 0.40
DBH P09172 1/20 0.39
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP1A2 P05177 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19301725 0.79 NOTUM (0.41) NOTUMHSP90AA1HSP90AB1KDM4EHTT
SCHEMBL1879152 0.77 NOTUM (0.65) NOTUMKDM4EHTTSMN1; SMN2TP53
SCHEMBL18950278 0.75 GABRA1 (0.30)
SCHEMBL1878730 0.72 NOTUM (0.51) NOTUMHSP90AA1HSP90AB1KDM4EHTT
SCHEMBL14602502 0.72 HDAC8 (0.49) NOTUMKDM4EHTTSMN1; SMN2TP53
SCHEMBL16474379 0.70
SCHEMBL16474378 0.70 GABRA1 (0.35) HPGDCYP1A2CYP3A4TSHR
SCHEMBL23108729 0.70 NOTUM (0.44) NOTUMHSP90AA1HSP90AB1KCNA3L3MBTL1
SCHEMBL18999661 0.70 KCNA3 (0.49) HSP90AA1HSP90AB1TP53CYP2D6KCNA3
SCHEMBL14504502 0.69 CYP11B2 (0.47) HSP90AA1HSP90AB1HTTSMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 NOTUM 4225/4885HSP90AA1 1142/4885HSP90AB1 548/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 NOTUM 4225/4885HSP90AA1 1142/4885HSP90AB1 548/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 NOTUM 4225/4885HSP90AA1 1142/4885HSP90AB1 548/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.